5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
TL;DR: 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid (CAS 104612-36-4) is a chemical compound with molecular formula C6H4BrNO3 and molecular weight 216.93745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-oxo-1H-pyridine-3-carboxylic acid
Also Known As: 5-bromo-2-hydroxynicotinic acid, null, 5-bromo-2-hydroxypyridine-3-carboxylic acid, 5-bromo-2-hydroxy-3-pyridinecarboxylic acid, 5-Bromo-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Technical Specifications
| Molecular Formula | C6H4BrNO3 |
| Molecular Weight | 216.93745 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.93745 Da |
| Heavy Atoms | 11 |
| Complexity | 280.0 |
| SMILES | C1=C(C(=O)NC=C1Br)C(=O)O |
| InChIKey | GYXOTADLHQJPIP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
Property Insights of 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid. Following Lipinski's Rule of Five, 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid?
The CAS number of 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid is 104612-36-4.
What is the molecular formula of 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid?
The molecular formula of 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid is C6H4BrNO3.
What is the molecular weight of 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid?
The molecular weight of 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid is 216.93745 g/mol.
Where can I buy 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid?
You can request a quote for 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.